Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H41N5O5.CH4O3S |
| Molecular Weight | 659.793 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N3C(=O)[C@](NC(=O)[C@H]4CN(C)[C@]5([H])CC6=CNC7=C6C(=CC=C7)[C@@]5([H])C4)(O[C@@]23O)C(C)C
InChI
InChIKey=UOOWRCRLTSXSAV-GSZJWLEYSA-N
InChI=1S/C31H41N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)/t19-,21-,23-,24+,26+,30-,31+;/m1./s1
| Molecular Formula | C31H41N5O5 |
| Molecular Weight | 563.6877 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | CH4O3S |
| Molecular Weight | 96.106 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:46:29 UTC 2023
by
admin
on
Fri Dec 15 15:46:29 UTC 2023
|
| Record UNII |
42RX8KPW29
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29713
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admin on Fri Dec 15 15:46:29 UTC 2023 , Edited by admin on Fri Dec 15 15:46:29 UTC 2023
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NCI_THESAURUS |
C66884
Created by
admin on Fri Dec 15 15:46:29 UTC 2023 , Edited by admin on Fri Dec 15 15:46:29 UTC 2023
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| Code System | Code | Type | Description | ||
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29261-94-7
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100000079764
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DBSALT001569
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168870
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42RX8KPW29
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SUB13585MIG
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C75937
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42644
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34502
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42RX8KPW29
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249-539-5
Created by
admin on Fri Dec 15 15:46:29 UTC 2023 , Edited by admin on Fri Dec 15 15:46:29 UTC 2023
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ACTIVE MOIETY |